ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate

C15H28N2O3 — CID 107394788

IUPACethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCCC(C)(OC)C2)C1
InChIInChI=1S/C15H28N2O3/c1-4-20-13(18)15(16)8-6-12(10-15)17-9-5-7-14(2,11-17)19-3/h12H,4-11,16H2,1-3H3
InChIKeyHIYMZRGRUUBRLS-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.30
Rot. Bonds4

About ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 107394788) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID107394788
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCCC(C)(OC)C2)C1
InChIInChI=1S/C15H28N2O3/c1-4-20-13(18)15(16)8-6-12(10-15)17-9-5-7-14(2,11-17)19-3/h12H,4-11,16H2,1-3H3
InChIKeyHIYMZRGRUUBRLS-UHFFFAOYSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 102966438
methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651204
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 107395960
ethyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxylate
CID 79647422
4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 107396577
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate (CID 107394788) is ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N2CCCC(C)(OC)C2)C1.
What is the InChIKey of ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is HIYMZRGRUUBRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-20-13(18)15(16)8-6-12(10-15)17-9-5-7-14(2,11-17)19-3/h12H,4-11,16H2,1-3H3.
What are the key properties of ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 107394788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).